Geometry & MOs

Info

ID:

445481

PubChem CID:

135267306

Reduced:

O2F6N7H35C38 (1)

Stoich.:

A2B6C7D35E38 (1)

Weight, g/mol:

850.221748

ΔHf, kcal/mol:

-193.36

Dipole, Da:

7.04

IP(EA), eV:

 -8.01(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-7-[2-[(1S)-1-[[2-[3-(difluoromethyl)-5-ethenyl-6,6-difluoro-4,5-dihydrocyclopenta[c]pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-6-(3-hydroxy-3-methylbut-1-ynyl)pyridin-3-yl]-1-methylindazol-3-yl]-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=CC=CC3=C2N(N=C3NC)C)[C@H](CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C([C@H]7CC[C@H]7C6(F)F)C(=N5)C(F)F)O

DOS

IR

Vibrations